| CAS Number | 871217-38-8 |
| Catalog Number | AG00IED4 |
| Chemical Name | 1-[[4-(Aminosulfonyl)phenyl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| IUPAC Name | 2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylic acid |
| InChI | InChI=1S/C14H16N2O4S/c1-9-7-13(14(17)18)10(2)16(9)8-11-3-5-12(6-4-11)21(15,19)20/h3-7H,8H2,1-2H3,(H,17,18)(H2,15,19,20) |
| InChI Key | IQLLNIKUNMMXRV-UHFFFAOYSA-N |
| MDL Number | MFCD07348556 |
| Molecular Formula | C14H16N2O4S |
| Molecular Weight | 308.3528 |
| SMILES | OC(=O)c1cc(n(c1C)Cc1ccc(cc1)S(=O)(=O)N)C |
| Synonyms | 871217-38-8,
2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-3-carboxylic acid,
1-[4-(aminosulfonyl)benzyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid,
AC1OFKOX,
AC1Q2HQJ,
CTK7I6992,
HMS1741F16,
ZINC4218556,
2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylic Acid,
MFCD07348556,
AKOS000118410,
MCULE-5839183490,
NE13578,
EN300-14772,
CID7131107,
|
| Complexity | 480 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.352g/mol |
| Monoisotopic Mass | 308.083g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number